12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine

C45H33NS — CID 146437091

IUPAC12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccccc2-c2ccc3c(sc4c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cccc43)c21
InChIInChI=1S/C45H33NS/c1-45(2)40-18-10-9-16-36(40)37-28-29-39-38-17-11-19-41(43(38)47-44(39)42(37)45)46(34-24-20-32(21-25-34)30-12-5-3-6-13-30)35-26-22-33(23-27-35)31-14-7-4-8-15-31/h3-29H,1-2H3
InChIKeyBCHJBJZQHVGBDE-UHFFFAOYSA-N
MW619.83 g/mol
LogP13.16
Rot. Bonds5

About 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine

12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine (PubChem CID 146437091) has the molecular formula C45H33NS and a molecular weight of 619.83 g/mol. Its IUPAC name is 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine.

Molecular Properties

Compound Name12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine
PubChem CID146437091
Molecular FormulaC45H33NS
Molecular Weight619.83 g/mol
Exact Mass619.23
IUPAC Name12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccccc2-c2ccc3c(sc4c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cccc43)c21
InChIInChI=1S/C45H33NS/c1-45(2)40-18-10-9-16-36(40)37-28-29-39-38-17-11-19-41(43(38)47-44(39)42(37)45)46(34-24-20-32(21-25-34)30-12-5-3-6-13-30)35-26-22-33(23-27-35)31-14-7-4-8-15-31/h3-29H,1-2H3
InChIKeyBCHJBJZQHVGBDE-UHFFFAOYSA-N
XLogP13.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.83
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 166028610
N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine
CID 137385981
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenylaniline
CID 150090867
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 167197274
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline
CID 163666886
12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine
CID 134392980
6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164744422
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine?
The IUPAC name of 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine (CID 146437091) is 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine.
What is the SMILES notation for 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine?
The canonical SMILES for 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine is CC1(C)c2ccccc2-c2ccc3c(sc4c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cccc43)c21.
What is the InChIKey of 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine?
The InChIKey is BCHJBJZQHVGBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NS/c1-45(2)40-18-10-9-16-36(40)37-28-29-39-38-17-11-19-41(43(38)47-44(39)42(37)45)46(34-24-20-32(21-25-34)30-12-5-3-6-13-30)35-26-22-33(23-27-35)31-14-7-4-8-15-31/h3-29H,1-2H3.
What are the key properties of 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine?
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine has a molecular weight of 619.83 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine is sourced from PubChem (CID 146437091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).